N-(3-ethynylphenyl)-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide

Systemtic Name: N-(3-ethynylphenyl)-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide Openeye Name: N-(3-ethynylphenyl)-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide CAS Name: N-(3-ethynylphenyl)-2-[(2-fluorophenyl)thio]-5-nitrobenzamide IUPAC Name: N-(3-ethynylphenyl)-2-(2-fluorophenyl)sulfanyl-5-nitrobenzamide Traditional Name: N-(3-ethynylphenyl)-2-[(2-fluorophenyl)thio]-5-nitro-benzamide Formula: C21H13FN2O3S MolecularWeight: 392.402923

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

InChI

InChI=1S/C21H13FN2O3S/c1-2-14-6-5-7-15(12-14)23-21(25)17-13-16(24(26)27)10-11-19(17)28-20-9-4-3-8-18(20)22/h1,3-13H,(H,23,25)